| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:52:02 UTC |
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| Update Date | 2025-03-21 18:03:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00043439 |
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| Frequency | 78.3 |
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| Structure | |
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| Chemical Formula | C9H15NO5S |
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| Molecular Mass | 249.0671 |
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| SMILES | CC(CCC(=O)NC(CS)C(=O)O)C(=O)O |
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| InChI Key | SDDKVTNVSOWGRC-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | n-acyl-alpha amino acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alkylthiolsalpha amino acidscarbonyl compoundscarboxylic acidscysteine and derivativesdicarboxylic acids and derivativeshydrocarbon derivativesmethyl-branched fatty acidsn-acyl aminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfur compoundssecondary carboxylic acid amides |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidfatty amidefatty acidorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundmethyl-branched fatty acidn-acyl-alpha-amino acidcarboxamide groupbranched fatty acidn-acyl-aminesecondary carboxylic acid amideorganic oxygen compoundcysteine or derivativesdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundalkylthiolorganooxygen compound |
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